N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C20H22N2O2S — CID 20909731

IUPACN-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H22N2O2S/c1-2-14-7-3-5-9-18(14)22-25(23,24)15-11-12-20-17(13-15)16-8-4-6-10-19(16)21-20/h3,5,7,9,11-13,21-22H,2,4,6,8,10H2,1H3
InChIKeyNBPMYQIXBQEGQV-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.41
Rot. Bonds4

About N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 20909731) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID20909731
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H22N2O2S/c1-2-14-7-3-5-9-18(14)22-25(23,24)15-11-12-20-17(13-15)16-8-4-6-10-19(16)21-20/h3,5,7,9,11-13,21-22H,2,4,6,8,10H2,1H3
InChIKeyNBPMYQIXBQEGQV-UHFFFAOYSA-N
XLogP4.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048
N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909748
N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 6625882
N-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 46276106
4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4046987
N-(4-ethylphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
CID 20910004
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 20909731) is N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is NBPMYQIXBQEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-14-7-3-5-9-18(14)22-25(23,24)15-11-12-20-17(13-15)16-8-4-6-10-19(16)21-20/h3,5,7,9,11-13,21-22H,2,4,6,8,10H2,1H3.
What are the key properties of N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 20909731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).